4H-pyrimidin-5-imine

C4H5N3 — CID 53430869

IUPAC4H-pyrimidin-5-imine
SMILES[H]/N=C1\C=NC=NC1
InChIInChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1,3,5H,2H2/b5-4+
InChIKeyRLJNQMCHACILDH-SNAWJCMRSA-N
MW95.10 g/mol
LogP0.12
Rot. Bonds

About 4H-pyrimidin-5-imine

4H-pyrimidin-5-imine (PubChem CID 53430869) has the molecular formula C4H5N3 and a molecular weight of 95.10 g/mol. Its IUPAC name is 4H-pyrimidin-5-imine.

Molecular Properties

Compound Name4H-pyrimidin-5-imine
PubChem CID53430869
Molecular FormulaC4H5N3
Molecular Weight95.10 g/mol
Exact Mass95.05
IUPAC Name4H-pyrimidin-5-imine
SMILES[H]/N=C1\C=NC=NC1
InChIInChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1,3,5H,2H2/b5-4+
InChIKeyRLJNQMCHACILDH-SNAWJCMRSA-N
XLogP0.12
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4H-pyrimidin-5-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4H-pyrimidin-5-imine?
The IUPAC name of 4H-pyrimidin-5-imine (CID 53430869) is 4H-pyrimidin-5-imine.
What is the SMILES notation for 4H-pyrimidin-5-imine?
The canonical SMILES for 4H-pyrimidin-5-imine is [H]/N=C1\C=NC=NC1.
What is the InChIKey of 4H-pyrimidin-5-imine?
The InChIKey is RLJNQMCHACILDH-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1,3,5H,2H2/b5-4+.
What are the key properties of 4H-pyrimidin-5-imine?
4H-pyrimidin-5-imine has a molecular weight of 95.10 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrimidin-5-imine is sourced from PubChem (CID 53430869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).